AG002PJ3

24821-22-5 | Benzoic acid, 2,6-bis(trifluoromethyl)-

AG002PJ3

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CAS Number	24821-22-5
Catalog Number	AG002PJ3(AGN-PC-0JLYRH)
Chemical Name	Benzoic acid, 2,6-bis(trifluoromethyl)-
EC Number	246-479-1
IUPAC Name	2,6-bis(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
InChI Key	XZNLSDPNMNWCRE-UHFFFAOYSA-N
MDL Number	MFCD00000376
Molecular Formula	C9H4F6O2
Molecular Weight	258.1173
SMILES	C(=O)(O)c1c(C(F)(F)F)cccc1C(F)(F)F
Synonyms	2,6-Bis(trifluoromethyl)benzoic acid, 24821-22-5, Benzoic acid, 2,6-bis(trifluoromethyl)-, 2,6-bis-trifluoromethylbenzoic acid, 2,6-di(Trifluoromethyl)benzoic acid, MFCD00000376, XZNLSDPNMNWCRE-UHFFFAOYSA-N, 2,6-Bis-trifluoromethyl-benzoic acid, 2,6-Bis(trifluoromethyl)benzoic acid, 98%, EINECS 246-479-1, PubChem4988, 2,6-bis (trifluoromethyl)-benzoic acid, ACMC-1CO7V, AC1L3KD6, SCHEMBL504216, AC1Q725D, RARECHEM AL BO 0513, CTK4F4450, TIMTEC-BB SBB000962, DTXSID40179522, BUTTPARK 44\01-73, ZINC120066, ACT11929, JRD-0007, KS-00000ZW5, ZX-AP011193, ANW-56145, BBL102248, CD-940, PC3089, SBB000962, STL556047, AKOS015852700, AC-3899, AN-6231, AS01789, MCULE-5682354674, TRA0034231, VZ22833, WT82300, Benzoic acid,2,6-bis(trifluoromethyl)-, AJ-11657, AK-34337, CC-07932, PS-11115, SC-54249, AB0030586, AX8011453, DB-046554, TR-011410, FT-0610519, ST24038783, ST50307056, X2792, 2,6 - Bis - trifluoromethyl - benzoic acid, A19959, Q-8852, C-16055, I01-4739, J-015688, 2,6-BIS BENZOICACID, C9H4F6O2, C9-H4-F6-O2, CID90618, 2,6-Bis(trifluoromethyl)benzoic acid, 98% - 1G 1g,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.012g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.119g/mol
Monoisotopic Mass	258.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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